⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL517222 | 0.77 | — | — | |
| SCHEMBL17469537 | 0.75 | — | — | |
| SCHEMBL14365920 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL3966809 | 0.72 | CA1 (0.46) | — | |
| SCHEMBL6601049 | 0.72 | NOS3 (0.36) | — | |
| SCHEMBL14976901 | 0.70 | — | — | |
| SCHEMBL17254971 | 0.68 | — | — | |
| SCHEMBL14652677 | 0.66 | HRH3 (0.48) | — | |
| SCHEMBL21336157 | 0.64 | CA1 (0.39) | — | |
| SCHEMBL27337966 | 0.63 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486975-B1 | FAST MIXING REACTOR AND USE THEREOF | WANHUA CHEMICAL GROUP CO LTD (CN) | 2015-09-23 | — | — | EP | claimed |
| US-9138717-B2 | High-speed mixing reactor and application thereof | WANHUA CHEMICAL GROUP CO., LTD (CN) | 2015-09-22 | — | — | US | claimed |
| US-20130178596-A1 | HIGH-SPEED MIXING REACTOR AND APPLICATION THEREOF | YANTAI WANHUA POLYURETHANES CO., LTD. (CN) | 2013-07-11 | — | — | US | claimed |
| EP-2486975-A1 | FAST MIXING REACTOR AND USE THEREOF | Yantai Wanhua Polyurethanes Co., Ltd. (CN) | 2012-08-15 | — | — | EP | claimed |
| EP-2486975-B1 | FAST MIXING REACTOR AND USE THEREOF | WANHUA CHEMICAL GROUP CO LTD (CN) | 2015-09-23 | — | — | EP | disclosed |
| US-9138717-B2 | High-speed mixing reactor and application thereof | WANHUA CHEMICAL GROUP CO., LTD (CN) | 2015-09-22 | — | — | US | disclosed |
| US-20130178596-A1 | HIGH-SPEED MIXING REACTOR AND APPLICATION THEREOF | YANTAI WANHUA POLYURETHANES CO., LTD. (CN) | 2013-07-11 | — | — | US | disclosed |
| EP-2486975-A1 | FAST MIXING REACTOR AND USE THEREOF | Yantai Wanhua Polyurethanes Co., Ltd. (CN) | 2012-08-15 | — | — | EP | disclosed |
| EP-1828097-B1 | METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE | BASF SE (DE) | 2008-05-07 | — | — | EP | disclosed |